CFam Chemical Families Database
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You are searching for "CFAMM00323761" in compound.

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CFAM Mol ID CFAMM00323761
Family CFFBM1459 Coagulation factor X and Trypsin-1 inhibitor N-[(3R)-3-(benzylsulfonylamino)-4-[[2-[[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]amino]-2-oxoethyl]amino]-4-oxobutyl]isoquinoline-1-carboxamide family
Superfamily CFSBM835 Trypsin-1 and Coagulation factor X Binder Superfamily 2
Class CFCAD189 Class 189
External ID CHEMBL323642 External Source CHEMBL
PubChem CID 44343994 Functional Category Bioactive
Molecule Name N-[(3R)-3-(benzylsulfonylamino)-4-[[2-[[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]amino]-2-oxoethyl]amino]-4-oxobutyl]pyridine-2-carboxamide
IUPAC Name N-[(3R)-3-(benzylsulfonylamino)-4-[[2-[[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]amino]-2-oxoethyl]amino]-4-oxobutyl]pyridine-2-carboxamide
Synonyms CHEBI:292385
InChi InChI=1S/C25H34N8O6S/c26-25(27)33-14-6-10-20(24(33)37)31-21(34)15-30-23(36)19(11-13-29-22(35)18-9-4-5-12-28-18)32-40(38,39)16-17-7-2-1-3-8-17/h1-5,7-9,12,19-20,24,32,37H,6,10-11,13-16H2,(H3,26,27)(H,29,35)(H,30,36)(H,31,34)/t19-,20+,24?/m1/s1
InChiKey IAHFYMPWOQDKNM-HVUWCZLESA-N
Formula C25H34N8O6S Molecular Weight 574.65
Cross Link CHEMBL323642
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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